Introduction to Using OSCER s Linux Cluster Supercomputer This exercise will help you learn to use Sooner, the

Transcription

1 Introduction to Using OSCER s Linux Cluster Supercomputer This exercise will help you learn to use Sooner, the Linux cluster supercomputer administered by the OU Supercomputing Center for Education & Research (OSCER), a division of the University of Oklahoma (OU) Information Technology (IT). Actions and commands that you should perform or type are in the computer boldface font. An account has been set up for you. Your user name is denoted here as yourusername, but may actually be of the form mpi###, where ### is a specific user ID number. Or, if you re a permanent OSCER user, your user name may be tied to your name; for example, hneeman (Henry Neeman). If you are registered in the spring 2009 instance of the Supercomputing in Plain English workshop series, but you don t yet have an account on Sooner, please send to Henry Neeman (hneeman@ou.edu). If you have any difficulty with this exercise, then please send to: support@oscer.ou.edu which reaches all OSCER staff (including Henry). The steps for this exercise are listed on the following pages. There are actually two versions of this exercise: a version in C, and a version in Fortran90. Where possible, descriptions of both will be given, but in some cases, only the C description will be given, with the Fortran90 version assumed. NOTE: We don t use Fortran77, because it s pure brain poison, but Fortran90 is a very nice language. Also, we don t use C++; instead, we assume that everyone who is comfortable in C++ will be served well enough by C. 1

2 I. LOG IN 1. From the PC of your choice (Windows, MacOS, Linux or whatever), bring up your web browser (Internet Explorer, Firefox, Opera, Safari, Chrome or whatever) and go to: install.php NOTICE the underscore in the URL, between ssh and install. 2. Following the instructions on that page, log in to: sooner.oscer.ou.edu 3. If you cannot log in to sooner.oscer.ou.edu, try logging in to one of the following: sooner1.oscer.ou.edu sooner2.oscer.ou.edu It turns out that sooner.oscer.ou.edu is an alias for these other computers; that is, when you log in to sooner.oscer.ou.edu, you ll actually get logged into one of these. 4. Once you log in, you ll get some text, and then a Unix prompt probably but not necessarily a percent sign with the cursor after it, like so: % There may be some information before the prompt character, such as the name of the computer that you ve logged in to (which may be different from sooner.oscer.ou.edu), your user name, and so on. For purposes of these materials, we ll generally use the percent sign % to indicate the Unix prompt. 5. Check the lines of text immediately above the Unix prompt. If there are lines of text that read something like: No directory /home/yourusername! Logging in with home = "/". then you should log out immediately by typing exit (followed by pressing Enter ), and then log back in. If you repeatedly have this problem, then please send to: support@oscer.ou.edu which reaches all OSCER staff (including Henry). 6. Check to be sure that you re in your home directory (a directory in Unix is like a folder in Windows, and your home directory in Unix is like your desktop in Windows): % pwd /home/yourusername This command is short for Print working directory; that is, print the full name of the directory that I m currently in. If your current working directory is just a slash (which means the root directory, which is like C:\ in Windows), rather than something like /home/yourusername then you should log out immediately by typing exit (followed by pressing Enter ), and then log back in. If you repeatedly have this problem, then please send to: support@oscer.ou.edu which reaches all OSCER staff (including Henry). 2

3 II. SET UP (FIRST TIME LOGGING IN ONLY) 1. From the PC of your choice (Windows, MacOS, Linux or whatever), bring up your web browser (Internet Explorer, Firefox, Opera, Safari, Chrome or whatever) and go to: change.php NOTICE the underscore in the URL, between password and change. 2. Follow the instructions on that page to change your OSCER password. Please note that this password change will affect only your accounts on OSCER machines, not anywhere else (including not affecting any other OU IT accounts if you re at OU). 3. At the Unix prompt, type exactly the bold text below, excluding the percent sign, which indicates the Unix prompt (all commands MUST be followed by pressing Enter ): % cp ~hneeman/.vimrc ~ This command means: Copy the file named.vimrc that s in Henry s home directory into my home directory. You WON T have to do this for future logins. NOTICE: The Unix copy command is cp. The first filename after cp is the source (the thing that you re making a copy of); the second is the destination (the name and/or location of the copy). Henry s username on OSCER supercomputers is hneeman. The filename.vimrc begins with a period (very important). The filename is pronounced dot vim-are-see. In Unix, filenames are case sensitive, meaning that it matters whether you use upper case (capital) or lower case (small) for each letter in a filename. In Unix, filename pieces are separated by slashes, NOT by backslashes as in Windows. The symbol (known as a tilde, pronounced TILL-duh ) denotes your home directory (another way to denote your home directory is yourusername). The substring hneeman means the home directory of the user named hneeman. If for some reason this doesn t work, try % cp /home/hneeman/.vimrc /home/yourusername 4. Type the following command: % cp ~hneeman/.nanorc ~ You WON T have to do this for future logins. 5. Create a subdirectory named SIPE2009 exercises, like so: % mkdir SIPE2009 exercises NOTICE: In the subdirectory name SIPE2009 exercises, the SIPE2009 MUST BE CAPITALIZED; that is, the directory s name is capital-s capital-i capital-p capital-e underscore exercises with no spaces or other characters in between. This command means: Create a directory named SIPE2009 exercises as a subdirectory inside the directory that I m currently in (it s like creating a new folder named SIPE2009 exercises on your desktop in Windows). You WON T have to do this for future logins. 3

4 6. Confirm that you have successfully created your SIPE2009 exercises directory by listing the contents of the current working directory: % ls SIPE2009 exercises This command means: List the names of the files and subdirectories in my current working directory. NOTICE that the command is ell ess that is, small-l small-s rather than one ess and that ls is short for list. 7. Set the permissions on your SIPE2009 exercises directory so that only you can access it: % chmod u=rwx,go= SIPE2009 exercises This command means: Change the mode (list of permissions) on my subdirectory named SIPE2009 exercises so that I (the user) can read files in it, write files in it, and go into (execute) it, but nobody else can. Your SIPE2009 exercises directory is now accessible only to you. The only other people who can access it are the system administrators (sysadmins for short) of this Linux cluster supercomputer; that is, OSCER operations staff (excluding Henry). You WON T have to do this for future logins. 8. Log out of the Linux cluster supercomputer by typing exit. Once you have completed the setup steps in this section, you WON T have to do them again when you log in later. 4

5 III. COPY HENRY S Intro DIRECTORY INTO YOUR SIPE2009 exercises DIRECTORY 1. Log in again. 2. Confirm that you re in your home directory: % pwd /home/yourusername 3. Check that you have a SIPE2009 exercises subdirectory inside your home directory: % ls SIPE2009_exercises 4. Go into your SIPE2009 exercises subdirectory: % cd SIPE2009 exercises This command means: Change the working directory to SIPE2009 exercises, which is a subdirectory of the current working directory. (This is like double-clicking on a folder icon in Windows.) 5. Confirm that you re in your SIPE2009 exercises subdirectory: % pwd /home/yourusername/sipe2009_exercises 6. See what files or subdirectories (if any) are in the current working directory: % ls You may get no output, just the Unix prompt. 7. SIDEBAR: To learn more about a particular Unix command, type: % man commandname For example, try % man chmod which will give you the online manual page for the chmod command. The output of man goes through another command, more, which shows one screenful at a time. To get the next screenful, press the spacebar; to get the next line, press Enter. To quit the more command, press Q. 8. Copy the subdirectory named Intro from Henry s SIPE2009 exercises directory into your SIPE2009 exercises directory: % cp -r ~hneeman/sipe2009 exercises/intro ~/SIPE2009 exercises/ This command means: Copy the subdirectory named Intro of the directory named SIPE2009 exercises under the home directory of user hneeman into my directory SIPE2009 exercises under my home directory. 9. Confirm that the Intro subdirectory was copied into your SIPE2009 exercises directory: % ls Intro 10. Go into your Intro subdirectory: % cd Intro 11. Confirm that you re in your Intro subdirectory: % pwd /home/yourusername/sipe2009_exercises/intro 5

6 12. See what files or subdirectories (if any) are in the current working directory (Intro): % ls C Fortran Go into either your C subdirectory or your Fortran90 subdirectory: % cd C OR % cd Fortran Confirm that you re in your C or Fortran90 subdirectory: % pwd /home/yourusername/sipe2009_exercises/intro/c OR the output of the pwd command might be: % pwd /home/yourusername/sipe2009_exercises/intro/fortran See what files or subdirectories (if any) are in the current working directory: % ls makefile my_number.bsub my_number.c my_number_input.txt OR the source file might be named my number.f90 instead of my number.c. 6

7 IV. EDIT THE BATCH SCRIPT FILE TO CREATE YOUR OWN UNIQUE VERSION 1. Before you can run Henry s original version of the program, you need to modify your copy of the batch script file my number.bsub to create a version that s uniquely yours. Using your preferred Unix text editor (whether nano, pico, vim, vi, emacs or whatever), edit your copy of my number.bsub. For example, if you re using nano, then the edit command would be: % nano my number.bsub This command means: Edit the text in the file named my number.bsub that s in my current working directory, using the text editor program named nano. If you need help using nano, please send to support@oscer.ou.edu. 2. In nano, notice the little help messages at the bottom of the screen: ^G Get Help ^O WriteOut ^R Read File ^Y Prev Pg ^K Cut Text ^C Cur Pos ^X Exit ^J Justify ^W Where is ^V Next Pg ^U UnCut Text ^T To Spell For example, consider ˆW Where is This means that you should press Ctrl - W (the caret ˆ indicates the Ctrl key) to search for a particular string of characters. Another example: ˆC Cur Pos is short for Cursor Position and causes nano to tell you what line number the cursor is located at. Another example: ˆK Cut Text means delete the line that the cursor is currently on. 3. Using the text editor, make the following changes to my number.bsub: (a) Everywhere throughout the file, change yourusername to your user name (which might be of the form mpi###, or perhaps is based on your name). THIS IS EXTREMELY IMPORTANT! (b) Everywhere throughout the file, change your address@yourinstitution.edu to your address. THIS IS EXTREMELY IMPORTANT! 4. Every few minutes while you re editing, you should save the work that you ve done so far, in case your work is interrupted by a computer crashing. In nano, type Ctrl - O (the letter oh), at which point nano will ask you, near the bottom of the screen: File Name to write : my_number.bsub That is, nano wants to know what filename to save the edited text into, with a default filename of my number.bsub). Press Enter to save to the default filename my number.bsub. 5. The lines of text in the batch script file my number.bsub should be less than 80 characters long, and ideally at most 72 characters long. (Your PuTTY window should be 80 characters wide.) 7

8 6. Some text editors, including nano, try to help keep text lines short, by breaking a long line into multiple short lines. For example, nano might break a line like #BSUB -o /home/yourusername/sipe2009_exercises/intro/c/my_number_%j_stdout.txt into two separate lines: #BSUB -o /home/yourusername/sipe2009_exercises/intro/c/my_number_%j_stdout.txt That is, nano automatically puts a carriage return when the line starts getting too long for nano s taste. Unfortunately, the batch scheduler (LSF, for Load Share Facility) will consider this to be an error. Why? Because LSF cannot allow an individual batch directive that is, a line starting with #BSUB to use more than one line. So, you ll need to correct any such occurrences. 7. After you ve finished editing, go back up to the top of the batch script file, and CAREFULLY READ THE ENTIRE BATCH SCRIPT FILE FROM START TO FINISH. This will give you a much clearer understanding of what batch computing is and how it works. 8. Understanding batch computing: As an analogy, imagine that you re at a football game and you want a drink. You get up and walk to the concession stand. If there are a lot of people at the concession stand, then you re going to have to wait a while before a server serves you, but if you re the only person in line, or more generally if there are at least as many servers behind the counter as customers lined up to buy, then you ll be served quickly. Batch computing is analogous, except that instead of food and drink, you and the other users want your jobs to be run, and instead of food servers, the servers are computers that can run jobs. In the case of Sooner, OSCER s big Linux cluster supercomputer, the number of users is roughly 500, and the number of servers (computers) is also roughly 500 but most users want to use many computers at the same time. The only way to make this work is for a computer program known as a scheduler in this case, LSF to decide whose jobs run on which computers, and when. Compare getting food at a football game to getting food at home, where you just walk up to your fridge or cupboard or whatever, and take out what you want. But if you ve got hundreds of people getting food, that method won t work: it doesn t scale to hundreds of people sharing one source of food, because you can t fit all of them in front of the one fridge; instead, everyone has to wait their turn at the counter, and work with a server to get served. Likewise with computing: your normal way of interacting with your laptop won t work when hundreds of people are sharing one source of computing. 9. After you ve finished reading the batch script file, exit the text editor. For example, in nano, type Ctrl - X. If you have made any changes since the last time you typed Ctrl - O, then nano will ask you, near the bottom of the screen, Save modified buffer (ANSWERING "No" WILL DESTROY CHANGES)? To save your most recent changes to the file (which is probably what you want to do), press the Y key; to avoid saving your most recent changes, press the N key. After that, nano will behave the same as if you had typed Ctrl - O. 8

9 V. LOOK AT, MAKE (COMPILE) AND RUN THE ORIGINAL VERSION OF THE PROGRAM 1. For your own understanding, look at the contents of the source file: % cat my_number.c OR: % cat my_number.f90 This command means: Output the contents of the text file named my number.c (or my number.f90) to the terminal screen. NOTICE that the command to output the contents of a text file to the terminal screen without using the more command is cat, which is short for concatenate, a word that means output one text file after another in sequence. The output of the cat command goes to the terminal screen, and in this case, we are only concatenating a single text file, so we re simply outputting the text file s contents to the terminal screen. If you re using PuTTY as your SSH client, and the contents of the file exceeds the height of the PuTTY window, then you can scroll up or down using the scrollbar on the right side of the window; most other SSH clients have similar capability. 2. For your own understanding, look at the contents of the makefile: % cat makefile 3. Make (compile) the executable program for Henry s original version of my number.c (or my number.f90): % make my_number gcc -O -c my_number.c gcc -O -o my_number my_number.o (It could be the case that the compiler is gfortran and the source file is my number.f90.) NOTICE: In the make command, the command line argument my number is the name of the executable (the file that can actually be run) that you are making. The make command runs the C compiler gcc (or the Fortran90 compiler gfortran) to compile the source file named my number.c (or my number.f90). In the compile command, the command line option -o my number indicates that my number is to be the name of the executable; if that option had been left out, then by default the name of the executable would be a.out ( the output of the assembler ), WHICH WOULD BE BAD, because then the executable s filename wouldn t explain the executable s purpose. 4. Submit the batch script file my number.bsub to the batch scheduler: % bsub < my number.bsub NOTICE the less than symbol < which is EXTREMELY IMPORTANT. You should get back output something like this: Job <######> is submitted to queue <normal>. where ###### is replaced by the batch job ID for the batch job that you ve just submitted. 9

10 5. Check the status of your batch job: % bjobs You ll get one or the other of the following two outputs, either: No unfinished job found OR: JOBID USER STAT QUEUE FROM_HOST EXEC_HOST JOB_NAME SUBMIT_TIME ###### yourusername PEND debug sooner1 my_number Jan 23 21:56 where ###### is replaced by a batch job ID number, and yourusername is replaced by your user name. 6. You may need to check the status of your batch job repeatedly, using the bjobs command, until it runs to completion. You ll know that it has finished running when it no longer appears in the list of your batch jobs (in which case it may say No unfinished job found ). 7. Once your job has finished running, find the standard output and standard error files from your job: % ls -ltr NOTICE that the command is ell ess space hyphen ell tee are that is, small-l small-s blank hyphen small-l small-t small-r rather than one ess or one tee are and that ls is short for list and -ltr is short for long detailed listing, sorted by time of most recent modification, in reverse order so that the most recently modified file is at the bottom. Using this command, you should see files named my number ###### stdout.txt and my number ###### stderr.txt, (where ###### is replaced by the batch job ID). These files should contain the output of my number. Ideally, the size of my number ###### stderr.txt should be zero. 8. Look at the contents of the standard output file: % cat my_number_######_stdout.txt (where ###### is replaced by the batch job ID). 9. If this run had ANY problems, then send to support@oscer.ou.edu which reaches all OSCER staff (including Henry), and attach the following files: makefile my number.c my number.bsub my number ###### stdout.txt my number ###### stderr.txt 10. Congratulations! You ve just run your first batch job. 10

11 VI. EDIT THE C SOURCE FILE TO CREATE YOUR OWN UNIQUE VERSION 1. Now that you ve run Henry s original version of the program, it s time to modify your copy of the source file my number.c (or my number.f90) to create a version that s uniquely yours. Using your preferred Unix text editor (whether nano, pico, vim, vi, emacs or whatever), edit your copy of my number.c (or my number.f90). For example, if you re using nano, then the edit command would be: % nano my number.c OR % nano my number.f90 2. Using the text editor, make the following changes to my number.c (or my number.f90): (a) In the declaration section, change the constant values assigned to minimum number, maximum number, close distance and computers number. You may select any integer values that you want, as long as they are different from 1, 5, 10 and 1 respectively, and minimum number < computers number < maximum number, and they are sufficiently spread out that you can actually do the runs properly. (b) In the execution section (also known as the body of the program), change the following sequences of character text to your own words: i. Hey! ii. That s amazing! iii. Close, but no cigar. iv. Bzzzt! Not even close. 3. Every few minutes while you re editing, you should save the work that you ve done so far, in case your work is interrupted by a computer crashing. In nano, type Ctrl - O (the letter oh), at which point nano will ask you, near the bottom of the screen: File Name to write : my_number.c OR: File Name to write : my_number.f90 That is, nano wants to know what filename to save the edited text into, with a default filename of my number.c (or my number.f90). Press Enter to save to the default filename my number.c (or my number.f90). 11

12 4. A character string literal constant, also known as a character string literal or a string literal for short, is a sequence of characters between a pair of double quotes. For example, in the C printf statement printf("this is a printf statement.\n"); the following is a string literal: "This is a printf statement.\n" Likewise, in the Fortran90 PRINT statement PRINT *, "This is a PRINT statement." the following is a string literal: "This is a PRINT statement." We say that the pair of double quotes delimits the sequence of characters in the string literal. Note that, in C, the \n at the end of the string literal tells the program to print a carriage return (also known as a newline) at the end of the line of output text. (In Fortran90, the carriage return is implied by the end of the PRINT statement.) 5. The lines of text in the source file my number.c (or my number.f90) should be less than 80 characters long, and ideally no more than 72 characters long. (Your PuTTY window should be 80 characters wide.) 6. Some text editors, including nano, try to help keep text lines short, by breaking a long line into multiple short lines. For example, nano might break a line like printf("this is a long line and nano will probably break part of it off.\n"); into two separate lines: printf("this is a long line and nano will probably break part of it off.\n"); That is, nano automatically puts a carriage return when the line starts getting too long for nano s taste. Unfortunately, the C compiler (or the Fortran90 compiler) will consider this to be an error. Why? Because C (or Fortran90) cannot allow an individual string literal to use more than one line (in Fortran90, there s a goofy way to do it, but it s bad practice). So, the correct way to write the above example is: printf("this is a long line and nano will probably"); printf(" break part of it off.\n"); OR: PRINT *, "This is a long line and nano will probably" PRINT *, " break part of it off." 12

13 7. Like the lines of source text, the lines of output text should be less than 80 characters long, and ideally no more than 72 characters long. You can break a long line of output text into shorter pieces by making it into two printf (or PRINT) statements. For example: printf("why you big old stinker! That s not between %d and %d!\n", minimum_number, maximum_number); This single printf statement can be converted into two printf statements, like so: printf("why you big old stinker! That s not between\n"); printf(" %d and %d!\n", minimum_number, maximum_number); Or, in Fortran90: PRINT *, "Why you big old stinker! That s not between" PRINT *, minimum_number, " and ", maximum_number, "!" 8. After you ve finished editing, exit the text editor. For example, in nano, type Ctrl - X. If you have made any changes since the last time you typed Ctrl - O, then nano will ask you, near the bottom of the screen, Save modified buffer (ANSWERING "No" WILL DESTROY CHANGES)? To save your most recent changes to the file (which is probably what you want to do), press the Y key; to avoid saving your most recent changes, press the N key. After that, nano will behave the same as if you had typed Ctrl - O. 9. Edit the input file my number input.txt to replace the original input values with input values relevant to your new unique version of the program, specifically: (a) an integer value less than your value for minimum number (b) an integer value greater than your value for maximum number (c) an integer value between your value for minimum number and your value for maximum number (inclusive), but far from your value for computers number (d) an integer value close to your value for computers number (that is, within your value for close distance of your value for computers number) (e) your value for computers number 13

14 VII. MAKE (COMPILE), RUN AND DEBUG YOUR OWN UNIQUE VERSION 1. Make (compile) your own unique version of the executable program: % make my_number gcc -O -c my_number.c gcc -O -o my_number my_number.o (It could be the case that the compiler is gfortran and the source file is my number.f90.) 2. If the program doesn t compile, then you ll need to edit it and figure out where things went wrong. In the worst case, if you re totally stumped, then copy the original from Henry s directory again, and start editing from the beginning. 3. Submit the batch script file my number.bsub to the batch scheduler: % bsub < my number.bsub NOTICE the less than symbol < which is EXTREMELY IMPORTANT. You should get back output something like this: Job <######> is submitted to queue <normal>. where ###### is replaced by the batch job ID for the batch job that you ve just submitted. 4. Check the status of your batch job: % bjobs You ll get one or the other of the following two outputs, either: No unfinished job found OR: JOBID USER STAT QUEUE FROM_HOST EXEC_HOST JOB_NAME SUBMIT_TIME ###### yourusername PEND debug sooner1 my_number Jan 23 21:56 where ###### is replaced by a batch job ID number, and yourusername is replaced by your user name. 5. You may need to check the status of your batch job repeatedly, using the bjobs command, until it runs to completion. You ll know that it has finished running when it no longer appears in the list of your batch jobs (in which case it may say No unfinished job found ). 6. Find the standard output and standard error files from your job: % ls -ltr NOTICE that the command is ell ess space hyphen ell tee are that is, small-l small-s blank hyphen small-l small-t small-r rather than one ess or one tee are and that ls is short for list and -ltr is short for long detailed listing, sorted by time of most recent modification, in reverse order so that the most recently modified is at the bottom. Using this command, you should see files named my number ###### stdout.txt and my number ###### stderr.txt, (where ###### is replaced by the batch job ID). These files should contain the output of my number. Ideally, the size of my number ###### stderr.txt should be zero. 7. Look at the contents of the standard output file: % cat my_number_######_stdout.txt (where ###### is replaced by the batch job ID). 8. Congratulations! You ve just completed this exercise. 14